CID 2775281

2,4,5-trifluoro-3-methoxybenzoyl chloride

Structural Information

Molecular Formula
C8H4ClF3O2
SMILES
COC1=C(C(=CC(=C1F)F)C(=O)Cl)F
InChI
InChI=1S/C8H4ClF3O2/c1-14-7-5(11)3(8(9)13)2-4(10)6(7)12/h2H,1H3
InChIKey
JVQSZTJTWSUJCR-UHFFFAOYSA-N
Compound name
2,4,5-trifluoro-3-methoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

223.9852 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99248 134.0
[M+Na]+ 246.97442 146.5
[M-H]- 222.97792 134.9
[M+NH4]+ 242.01902 153.9
[M+K]+ 262.94836 142.5
[M+H-H2O]+ 206.98246 127.4
[M+HCOO]- 268.98340 150.9
[M+CH3COO]- 282.99905 189.1
[M+Na-2H]- 244.95987 136.9
[M]+ 223.98465 135.3
[M]- 223.98575 135.3
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