CID 44073

Acifluorfen

Structural Information

Molecular Formula
C14H7ClF3NO5
SMILES
C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)
InChIKey
NUFNQYOELLVIPL-UHFFFAOYSA-N
Compound name
5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

96
References

34180
Patents

360.9965 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.00378 169.5
[M+Na]+ 383.98572 178.3
[M-H]- 359.98922 171.7
[M+NH4]+ 379.03032 181.4
[M+K]+ 399.95966 169.5
[M+H-H2O]+ 343.99376 165.5
[M+HCOO]- 405.99470 184.0
[M+CH3COO]- 420.01035 202.9
[M+Na-2H]- 381.97117 173.8
[M]+ 360.99595 168.6
[M]- 360.99705 168.6
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