CID 66399944

[1-(difluoromethyl)-1h-pyrrol-2-yl]methanol

Structural Information

Molecular Formula
C6H7F2NO
SMILES
C1=CN(C(=C1)CO)C(F)F
InChI
InChI=1S/C6H7F2NO/c7-6(8)9-3-1-2-5(9)4-10/h1-3,6,10H,4H2
InChIKey
QKIPTBWOZZIALC-UHFFFAOYSA-N
Compound name
[1-(difluoromethyl)pyrrol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.04958 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05686 124.9
[M+Na]+ 170.03880 133.8
[M-H]- 146.04230 123.6
[M+NH4]+ 165.08340 146.1
[M+K]+ 186.01274 132.0
[M+H-H2O]+ 130.04684 117.6
[M+HCOO]- 192.04778 145.5
[M+CH3COO]- 206.06343 171.8
[M+Na-2H]- 168.02425 128.8
[M]+ 147.04903 121.9
[M]- 147.05013 121.9
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.