CID 3017765

67446-83-7

Structural Information

Molecular Formula
C14H6Cl2F3NO4
SMILES
C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)Cl
InChI
InChI=1S/C14H6Cl2F3NO4/c15-10-5-7(14(17,18)19)1-4-12(10)24-8-2-3-11(20(22)23)9(6-8)13(16)21/h1-6H
InChIKey
KGPHNHSAYAXSOW-UHFFFAOYSA-N
Compound name
5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

214
Patents

378.9626 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.969876 172.8
[M+Na]+ 401.951818 182.3
[M-H]- 377.955324 175.4
[M+NH4]+ 396.996423 185.2
[M+K]+ 417.925758 172.7
[M+H-H2O]+ 361.959860 169.5
[M+HCOO]- 423.960801 183.5
[M+CH3COO]- 437.976451 207.7
[M+Na-2H]- 399.937266 176.3
[M]+ 378.96205142 173.8
[M]- 378.96314858 173.8
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