CID 89956629

2,6-difluoro-4-iodobenzotrifluoride

Structural Information

Molecular Formula
C7H2F5I
SMILES
C1=C(C=C(C(=C1F)C(F)(F)F)F)I
InChI
InChI=1S/C7H2F5I/c8-4-1-3(13)2-5(9)6(4)7(10,11)12/h1-2H
InChIKey
PFVGWSZEDWYASA-UHFFFAOYSA-N
Compound name
1,3-difluoro-5-iodo-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

307.91214 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.91942 135.8
[M+Na]+ 330.90136 140.2
[M-H]- 306.90486 127.4
[M+NH4]+ 325.94596 150.7
[M+K]+ 346.87530 142.7
[M+H-H2O]+ 290.90940 123.7
[M+HCOO]- 352.91034 149.1
[M+CH3COO]- 366.92599 193.7
[M+Na-2H]- 328.88681 128.8
[M]+ 307.91159 127.5
[M]- 307.91269 127.5
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