CID 7022993

4-chloro-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)benzoic acid

Structural Information

Molecular Formula
C22H16ClNO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=C(C=CC(=C4)Cl)C(=O)O
InChI
InChI=1S/C22H16ClNO4/c23-13-9-10-18(21(25)26)20(11-13)24-22(27)28-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-11,19H,12H2,(H,24,27)(H,25,26)
InChIKey
BIPQSYSWHUYDEA-UHFFFAOYSA-N
Compound name
4-chloro-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.07678 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.08406 190.2
[M+Na]+ 416.06600 198.5
[M-H]- 392.06950 197.8
[M+NH4]+ 411.11060 205.1
[M+K]+ 432.03994 192.1
[M+H-H2O]+ 376.07404 183.3
[M+HCOO]- 438.07498 206.2
[M+CH3COO]- 452.09063 200.5
[M+Na-2H]- 414.05145 192.2
[M]+ 393.07623 194.9
[M]- 393.07733 194.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.