CID 9884

2-chloro-1,1-difluoro-1-methoxyethane

Structural Information

Molecular Formula
C3H5ClF2O
SMILES
COC(CCl)(F)F
InChI
InChI=1S/C3H5ClF2O/c1-7-3(5,6)2-4/h2H2,1H3
InChIKey
AQKCWZOXYGNDRI-UHFFFAOYSA-N
Compound name
2-chloro-1,1-difluoro-1-methoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

129.9997 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.00698 117.1
[M+Na]+ 152.98892 126.8
[M-H]- 128.99242 115.3
[M+NH4]+ 148.03352 140.2
[M+K]+ 168.96286 125.3
[M+H-H2O]+ 112.99696 112.8
[M+HCOO]- 174.99790 134.0
[M+CH3COO]- 189.01355 170.0
[M+Na-2H]- 150.97437 125.0
[M]+ 129.99915 117.5
[M]- 130.00025 117.5
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