CID 108746

55667-43-1

Structural Information

Molecular Formula
C6H8Cl2
SMILES
CC(=CC=C(Cl)Cl)C
InChI
InChI=1S/C6H8Cl2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3
InChIKey
YYOLVILSZOVWLS-UHFFFAOYSA-N
Compound name
1,1-dichloro-4-methylpenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

294
Patents

150.0003 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.007576 127.4
[M+Na]+ 172.989518 136.0
[M-H]- 148.993024 127.2
[M+NH4]+ 168.034123 149.9
[M+K]+ 188.963458 131.6
[M+H-H2O]+ 132.997560 125.3
[M+HCOO]- 194.998501 140.1
[M+CH3COO]- 209.014151 174.7
[M+Na-2H]- 170.974966 131.0
[M]+ 149.99975142 128.4
[M]- 150.00084858 128.4
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