CID 21933945

4-(1-chloroethyl)-1,2-difluorobenzene

Structural Information

Molecular Formula
C8H7ClF2
SMILES
CC(C1=CC(=C(C=C1)F)F)Cl
InChI
InChI=1S/C8H7ClF2/c1-5(9)6-2-3-7(10)8(11)4-6/h2-5H,1H3
InChIKey
JROOYCGCPLLVMQ-UHFFFAOYSA-N
Compound name
4-(1-chloroethyl)-1,2-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
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 128.2
[M+Na]+ 199.00965 138.6
[M-H]- 175.01315 129.8
[M+NH4]+ 194.05425 149.8
[M+K]+ 214.98359 134.6
[M+H-H2O]+ 159.01769 122.5
[M+HCOO]- 221.01863 145.5
[M+CH3COO]- 235.03428 180.9
[M+Na-2H]- 196.99510 133.0
[M]+ 176.01988 127.7
[M]- 176.02098 127.7
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