CID 4667424

4-fluorophenyl n-(3-chlorophenyl)carbamate

Structural Information

Molecular Formula
C13H9ClFNO2
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)OC2=CC=C(C=C2)F
InChI
InChI=1S/C13H9ClFNO2/c14-9-2-1-3-11(8-9)16-13(17)18-12-6-4-10(15)5-7-12/h1-8H,(H,16,17)
InChIKey
AJHXCLAVCHULGK-UHFFFAOYSA-N
Compound name
(4-fluorophenyl) N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

265.03058 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.03786 154.0
[M+Na]+ 288.01980 163.0
[M-H]- 264.02330 159.7
[M+NH4]+ 283.06440 171.2
[M+K]+ 303.99374 158.0
[M+H-H2O]+ 248.02784 146.5
[M+HCOO]- 310.02878 173.8
[M+CH3COO]- 324.04443 195.3
[M+Na-2H]- 286.00525 159.3
[M]+ 265.03003 155.4
[M]- 265.03113 155.4
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

patents stripe