CID 3021301

88599-48-8

Structural Information

Molecular Formula
C15H12ClNO4
SMILES
CC1=CC=CC=C1OC(=O)C2=C(C=CC(=C2)Cl)OC(=O)N
InChI
InChI=1S/C15H12ClNO4/c1-9-4-2-3-5-12(9)20-14(18)11-8-10(16)6-7-13(11)21-15(17)19/h2-8H,1H3,(H2,17,19)
InChIKey
TWXVOXHOUYVOKS-UHFFFAOYSA-N
Compound name
(2-methylphenyl) 2-carbamoyloxy-5-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.04547 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.052746 165.5
[M+Na]+ 328.034688 174.2
[M-H]- 304.038194 172.4
[M+NH4]+ 323.079293 180.8
[M+K]+ 344.008628 170.3
[M+H-H2O]+ 288.042730 158.7
[M+HCOO]- 350.043671 184.8
[M+CH3COO]- 364.059321 203.7
[M+Na-2H]- 326.020136 167.5
[M]+ 305.04492142 169.7
[M]- 305.04601858 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.