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]+ 148.056856 124.9
[M+Na]+ 170.038798 133.8
[M-H]- 146.042304 123.6
[M+NH4]+ 165.083403 146.1
[M+K]+ 186.012738 132.0
[M+H-H2O]+ 130.046840 117.6
[M+HCOO]- 192.047781 145.5
[M+CH3COO]- 206.063431 171.8
[M+Na-2H]- 168.024246 128.8
[M]+ 147.04903142 121.9
[M]- 147.05012858 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.