CID 2783250

145572-10-7

Structural Information

Molecular Formula
C7Cl2F4O
SMILES
C1(=C(C(=C(C(=C1F)F)Cl)F)F)C(=O)Cl
InChI
InChI=1S/C7Cl2F4O/c8-2-5(12)3(10)1(7(9)14)4(11)6(2)13
InChIKey
BCYRJFXGRNBBAF-UHFFFAOYSA-N
Compound name
4-chloro-2,3,5,6-tetrafluorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.92624 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.93352 132.2
[M+Na]+ 268.91546 146.3
[M-H]- 244.91896 131.5
[M+NH4]+ 263.96006 151.8
[M+K]+ 284.88940 140.2
[M+H-H2O]+ 228.92350 126.1
[M+HCOO]- 290.92444 143.1
[M+CH3COO]- 304.94009 192.7
[M+Na-2H]- 266.90091 133.8
[M]+ 245.92569 132.0
[M]- 245.92679 132.0
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

No patent data available for this compound.