CID 2733326

1-chloro-2-methylpropyl chloroformate

Structural Information

Molecular Formula
C5H8Cl2O2
SMILES
CC(C)C(OC(=O)Cl)Cl
InChI
InChI=1S/C5H8Cl2O2/c1-3(2)4(6)9-5(7)8/h3-4H,1-2H3
InChIKey
BOGLZTPABVHWDD-UHFFFAOYSA-N
Compound name
(1-chloro-2-methylpropyl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

401
Patents

169.99013 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.99741 128.2
[M+Na]+ 192.97935 136.8
[M-H]- 168.98285 128.5
[M+NH4]+ 188.02395 150.0
[M+K]+ 208.95329 134.6
[M+H-H2O]+ 152.98739 126.2
[M+HCOO]- 214.98833 140.8
[M+CH3COO]- 229.00398 177.9
[M+Na-2H]- 190.96480 131.4
[M]+ 169.98958 132.1
[M]- 169.99068 132.1
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

No patent data available for this compound.