CID 3078723

122277-25-2

Structural Information

Molecular Formula
C15H12ClNO4
SMILES
CC1=CC(=CC=C1)OC(=O)C2=C(C=CC(=C2)Cl)OC(=O)N
InChI
InChI=1S/C15H12ClNO4/c1-9-3-2-4-11(7-9)20-14(18)12-8-10(16)5-6-13(12)21-15(17)19/h2-8H,1H3,(H2,17,19)
InChIKey
BKUIJBRIBDXWMR-UHFFFAOYSA-N
Compound name
(3-methylphenyl) 2-carbamoyloxy-5-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.04547 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.05275 165.5
[M+Na]+ 328.03469 174.2
[M-H]- 304.03819 172.4
[M+NH4]+ 323.07929 180.8
[M+K]+ 344.00863 170.3
[M+H-H2O]+ 288.04273 158.7
[M+HCOO]- 350.04367 184.8
[M+CH3COO]- 364.05932 203.7
[M+Na-2H]- 326.02014 167.5
[M]+ 305.04492 169.7
[M]- 305.04602 169.7
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.