CID 521511

Benzene, 1,2-dichloro-3-ethyl-

Structural Information

Molecular Formula
C8H8Cl2
SMILES
CCC1=C(C(=CC=C1)Cl)Cl
InChI
InChI=1S/C8H8Cl2/c1-2-6-4-3-5-7(9)8(6)10/h3-5H,2H2,1H3
InChIKey
KEBKSRNCCOFIBI-UHFFFAOYSA-N
Compound name
1,2-dichloro-3-ethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

474
Patents

174.0003 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.00758 130.1
[M+Na]+ 196.98952 140.9
[M-H]- 172.99302 133.5
[M+NH4]+ 192.03412 152.2
[M+K]+ 212.96346 135.8
[M+H-H2O]+ 156.99756 126.8
[M+HCOO]- 218.99850 145.2
[M+CH3COO]- 233.01415 179.4
[M+Na-2H]- 194.97497 136.3
[M]+ 173.99975 133.2
[M]- 174.00085 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe