CID 37494

Fenclorac

Structural Information

Molecular Formula
C14H16Cl2O2
SMILES
C1CCC(CC1)C2=C(C=C(C=C2)C(C(=O)O)Cl)Cl
InChI
InChI=1S/C14H16Cl2O2/c15-12-8-10(13(16)14(17)18)6-7-11(12)9-4-2-1-3-5-9/h6-9,13H,1-5H2,(H,17,18)
InChIKey
GXEUNRBWEAIPCN-UHFFFAOYSA-N
Compound name
2-chloro-2-(3-chloro-4-cyclohexylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

5423
Patents

286.05273 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.060006 160.8
[M+Na]+ 309.041948 166.7
[M-H]- 285.045454 164.7
[M+NH4]+ 304.086553 176.8
[M+K]+ 325.015888 160.8
[M+H-H2O]+ 269.049990 155.8
[M+HCOO]- 331.050931 168.5
[M+CH3COO]- 345.066581 196.0
[M+Na-2H]- 307.027396 160.6
[M]+ 286.05218142 159.1
[M]- 286.05327858 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe