CID 43312967

2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde

Structural Information

Molecular Formula
C11H12FNO
SMILES
CN(C1CC1)C2=C(C=C(C=C2)F)C=O
InChI
InChI=1S/C11H12FNO/c1-13(10-3-4-10)11-5-2-9(12)6-8(11)7-14/h2,5-7,10H,3-4H2,1H3
InChIKey
BCRCCZBIQHXWLV-UHFFFAOYSA-N
Compound name
2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09029 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.097566 136.9
[M+Na]+ 216.079508 146.7
[M-H]- 192.083014 144.9
[M+NH4]+ 211.124113 152.2
[M+K]+ 232.053448 144.1
[M+H-H2O]+ 176.087550 129.1
[M+HCOO]- 238.088491 162.2
[M+CH3COO]- 252.104141 193.2
[M+Na-2H]- 214.064956 142.3
[M]+ 193.08974142 139.5
[M]- 193.09083858 139.5
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

No patent data available for this compound.