CID 66671240

2-(chloromethyl)-1,3-difluoro-4-methylbenzene

Structural Information

Molecular Formula
C8H7ClF2
SMILES
CC1=C(C(=C(C=C1)F)CCl)F
InChI
InChI=1S/C8H7ClF2/c1-5-2-3-7(10)6(4-9)8(5)11/h2-3H,4H2,1H3
InChIKey
WBVSJQJFXIAHHX-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1,3-difluoro-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

176.02043 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02771 131.5
[M+Na]+ 199.00965 145.1
[M+NH4]+ 194.05425 140.2
[M+K]+ 214.98359 137.5
[M-H]- 175.01315 131.9
[M+Na-2H]- 196.99510 138.3
[M]+ 176.01988 133.8
[M]- 176.02098 133.8
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