CID 63310612

1341107-91-2

Structural Information

Molecular Formula
C22H16FNO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=C(C=C(C=C4)C(=O)O)F
InChI
InChI=1S/C22H16FNO4/c23-19-11-13(21(25)26)9-10-20(19)24-22(27)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-11,18H,12H2,(H,24,27)(H,25,26)
InChIKey
QRRPFIHJWDVLEW-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.10632 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11360 186.1
[M+Na]+ 400.09554 193.5
[M-H]- 376.09904 192.4
[M+NH4]+ 395.14014 200.5
[M+K]+ 416.06948 188.1
[M+H-H2O]+ 360.10358 177.4
[M+HCOO]- 422.10452 205.4
[M+CH3COO]- 436.12017 218.6
[M+Na-2H]- 398.08099 187.9
[M]+ 377.10577 187.1
[M]- 377.10687 187.1
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.