CID 15614233

64248-60-8

Structural Information

Molecular Formula
C7H3F5
SMILES
C1=CC(=C(C(=C1)F)C(F)(F)F)F
InChI
InChI=1S/C7H3F5/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
InChIKey
NKKFHDNJRMWBFS-UHFFFAOYSA-N
Compound name
1,3-difluoro-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

332
Patents

182.01549 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.022766 127.3
[M+Na]+ 205.004708 138.2
[M-H]- 181.008214 125.3
[M+NH4]+ 200.049313 147.6
[M+K]+ 220.978648 135.1
[M+H-H2O]+ 165.012750 118.4
[M+HCOO]- 227.013691 145.5
[M+CH3COO]- 241.029341 181.5
[M+Na-2H]- 202.990156 132.9
[M]+ 182.01494142 120.5
[M]- 182.01603858 120.5
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