CID 13971386

132554-73-5

Structural Information

Molecular Formula
C7H3F4I
SMILES
C1=CC(=C(C=C1C(F)(F)F)F)I
InChI
InChI=1S/C7H3F4I/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H
InChIKey
VQJMGRSHTFVCQE-UHFFFAOYSA-N
Compound name
2-fluoro-1-iodo-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

289.92157 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.92885 134.7
[M+Na]+ 312.91079 138.1
[M-H]- 288.91429 127.2
[M+NH4]+ 307.95539 150.1
[M+K]+ 328.88473 141.1
[M+H-H2O]+ 272.91883 123.2
[M+HCOO]- 334.91977 149.0
[M+CH3COO]- 348.93542 189.9
[M+Na-2H]- 310.89624 128.7
[M]+ 289.92102 127.2
[M]- 289.92212 127.2
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