CID 69278552

1-chloro-2-(chloromethyl)-4,5-difluorobenzene

Structural Information

Molecular Formula
C7H4Cl2F2
SMILES
C1=C(C(=CC(=C1F)F)Cl)CCl
InChI
InChI=1S/C7H4Cl2F2/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2
InChIKey
WNHPIODSOFFGKA-UHFFFAOYSA-N
Compound name
1-chloro-2-(chloromethyl)-4,5-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

195.9658 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.97308 128.5
[M+Na]+ 218.95502 140.7
[M-H]- 194.95852 129.6
[M+NH4]+ 213.99962 149.9
[M+K]+ 234.92896 135.1
[M+H-H2O]+ 178.96306 123.7
[M+HCOO]- 240.96400 141.9
[M+CH3COO]- 254.97965 182.9
[M+Na-2H]- 216.94047 133.6
[M]+ 195.96525 129.6
[M]- 195.96635 129.6
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